#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3azu n GLN 2 N 0.00 0.00 -0.69 0.00 -0.06 -1.26 -3.08 117.38 112.29 3azu n GLN 2 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.05 3azu n GLN 2 Cb 0.00 0.00 0.31 0.00 -4.06 0.00 0.00 30.24 26.49 3azu n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3azu s SER 4 N -1.52 0.19 0.05 0.00 1.04 -1.18 -1.44 113.70 110.84 3azu s SER 4 Ca 0.48 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.45 3azu s SER 4 Cb 0.38 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 3azu s SER 4 CO 0.11 -0.39 -0.05 0.54 0.98 0.00 0.00 173.24 174.43 3azu s VAL 5 N -1.90 0.38 -0.06 5.02 0.11 -0.59 -1.57 120.40 121.79 3azu s VAL 5 Ca -0.11 -1.35 0.05 0.00 -2.93 0.00 0.00 61.98 57.64 3azu s VAL 5 Cb -0.06 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 3azu s VAL 5 CO -0.02 -0.64 -0.23 -1.81 -3.33 0.00 0.00 175.10 169.07 3azu s ASP 6 N -2.10 2.85 -0.02 3.54 1.01 -1.26 -0.92 116.67 119.77 3azu s ASP 6 Ca -0.04 -0.48 -0.05 0.00 0.71 0.00 0.00 52.55 52.69 3azu s ASP 6 Cb -0.03 -0.86 0.00 0.00 1.01 0.00 0.00 42.92 43.04 3azu s ASP 6 CO -0.03 0.21 0.12 -0.51 0.21 0.00 0.00 175.17 175.17 3azu s ILE 7 N -0.04 0.05 -0.07 0.77 2.07 0.22 -4.94 121.20 119.26 3azu s ILE 7 Ca -0.06 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 58.80 3azu s ILE 7 Cb -0.14 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.15 3azu s ILE 7 CO 0.04 -0.23 -0.16 -1.10 -1.91 0.00 0.00 174.94 171.59 3azu s GLN 8 N -0.75 2.07 -0.09 3.50 -0.21 -1.26 -1.51 119.66 121.41 3azu s GLN 8 Ca -0.08 -0.55 -0.06 0.00 0.02 0.00 0.00 55.36 54.69 3azu s GLN 8 Cb -0.05 -1.66 -0.04 0.00 1.00 0.00 0.00 33.01 32.26 3azu s GLN 8 CO 0.01 0.09 0.15 0.20 -2.12 0.00 0.00 175.29 173.61 3azu s GLY 9 N 0.52 2.15 0.48 3.09 0.00 -1.03 -0.71 107.32 111.83 3azu s GLY 9 Ca -0.15 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 43.92 3azu s GLY 9 CO 0.05 -0.46 0.01 0.54 0.00 0.00 0.00 173.10 173.24 3azu s ASN 10 N -1.28 3.93 0.00 1.64 2.20 -0.72 -4.09 114.94 116.62 3azu s ASN 10 Ca 0.18 -1.59 0.17 0.00 -0.94 0.00 0.00 52.86 50.68 3azu s ASN 10 Cb -0.12 0.31 0.87 0.00 -2.00 0.00 0.00 41.25 40.30 3azu s ASN 10 CO 0.08 -0.77 1.47 0.47 -2.94 0.00 0.00 177.10 175.41 3azu n ASP 11 N -1.19 0.00 -1.44 3.54 8.00 -1.26 -1.44 116.55 122.76 3azu n ASP 11 Ca -0.15 -0.05 0.10 0.00 0.71 0.00 0.00 54.79 55.39 3azu n ASP 11 Cb 0.67 -0.23 0.33 0.00 -0.02 0.00 0.00 41.12 41.86 3azu n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3azu n GLN 12 N -1.23 3.24 -3.29 -1.24 3.00 -1.26 -4.94 117.38 111.65 3azu n GLN 12 Ca 0.09 -2.62 -0.16 0.00 -0.01 0.00 0.00 57.00 54.30 3azu n GLN 12 Cb 0.12 -1.75 0.08 0.00 0.00 0.00 0.00 30.24 28.69 3azu n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 3azu n MET 13 N 1.22 -6.01 -4.43 -1.09 2.81 -0.52 -5.03 117.12 104.07 3azu n MET 13 Ca 0.24 0.76 -0.20 0.00 -1.81 0.00 0.00 57.70 56.68 3azu n MET 13 Cb 0.75 -5.51 -0.15 0.00 -0.71 0.00 0.00 33.22 27.60 3azu n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3azu s GLN 14 N -5.29 0.96 0.38 0.03 -0.21 -1.25 -4.07 119.66 110.21 3azu s GLN 14 Ca 0.04 -0.34 -0.10 0.00 0.02 0.00 0.00 55.36 54.97 3azu s GLN 14 Cb -0.02 -0.90 -0.06 0.00 1.00 0.00 0.00 33.01 33.03 3azu s GLN 14 CO 0.65 0.16 0.74 -0.06 -2.12 0.00 0.00 175.29 174.66 3azu s PHE 15 N 0.03 3.46 -2.04 0.91 0.08 -1.26 -1.76 117.98 117.41 3azu s PHE 15 Ca -0.01 1.00 0.12 0.00 0.12 0.00 0.00 56.93 58.17 3azu s PHE 15 Cb -0.07 -2.40 0.64 0.00 -0.57 0.00 0.00 43.02 40.61 3azu s PHE 15 CO 0.00 -0.05 1.43 0.27 -0.10 0.00 0.00 175.22 176.76 3azu n ASN 16 N -1.17 0.38 -3.79 1.36 6.94 0.11 -4.77 115.26 114.31 3azu n ASN 16 Ca 0.02 -1.69 -0.12 0.00 -0.02 0.00 0.00 54.58 52.76 3azu n ASN 16 Cb 0.54 -0.03 -0.09 0.00 -2.36 0.00 0.00 39.78 37.84 3azu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3azu s THR 17 N -1.93 0.07 -0.72 5.53 -1.32 -1.26 -4.98 115.64 111.03 3azu s THR 17 Ca 0.19 -0.58 0.10 0.00 -1.21 0.00 0.00 61.69 60.19 3azu s THR 17 Cb 0.09 -0.66 -0.05 0.00 -1.51 0.00 0.00 72.50 70.37 3azu s THR 17 CO 0.15 -0.32 0.53 0.59 -2.21 0.00 0.00 174.62 173.36 3azu n ASN 18 N 1.14 0.88 -3.68 8.08 3.02 -1.26 -4.82 115.26 118.62 3azu n ASN 18 Ca -0.21 -0.94 -0.12 0.00 -0.03 0.00 0.00 54.58 53.28 3azu n ASN 18 Cb 0.57 0.70 -0.09 0.00 -0.61 0.00 0.00 39.78 40.35 3azu n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3azu s ALA 19 N -1.59 -1.37 -0.06 5.41 0.00 -1.26 -1.17 121.76 121.73 3azu s ALA 19 Ca 0.06 1.65 0.03 0.00 0.00 0.00 0.00 51.96 53.70 3azu s ALA 19 Cb 0.08 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.24 3azu s ALA 19 CO 0.31 -0.27 -0.13 0.42 0.00 0.00 0.00 175.76 176.09 3azu s ILE 20 N 0.64 1.14 -0.10 0.00 1.01 -0.28 -4.98 121.20 118.63 3azu s ILE 20 Ca -0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 3azu s ILE 20 Cb -0.05 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 3azu s ILE 20 CO -0.04 0.35 -0.01 -0.89 0.00 0.00 0.00 174.94 174.35 3azu s THR 21 N 0.47 4.18 -0.23 2.92 2.01 -1.26 -0.84 115.64 122.89 3azu s THR 21 Ca -0.11 -0.29 -0.00 0.00 0.31 0.00 0.00 61.69 61.60 3azu s THR 21 Cb -0.14 -2.77 0.03 0.00 0.01 0.00 0.00 72.50 69.63 3azu s THR 21 CO 0.03 0.57 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.75 3azu s VAL 22 N -0.55 2.62 0.07 3.82 1.01 0.97 -4.91 120.40 123.42 3azu s VAL 22 Ca 0.09 -1.07 -0.31 0.00 0.00 0.00 0.00 61.98 60.69 3azu s VAL 22 Cb -0.12 -2.31 -0.10 0.00 0.00 0.00 0.00 36.38 33.86 3azu s VAL 22 CO 0.02 0.25 1.91 -0.67 0.00 0.00 0.00 175.10 176.61 3azu n ASP 23 N 4.63 4.07 0.15 3.32 -0.08 -1.25 -0.85 116.55 126.54 3azu n ASP 23 Ca -0.17 0.94 0.08 0.00 -1.51 0.00 0.00 54.79 54.14 3azu n ASP 23 Cb 0.47 -1.52 0.45 0.00 2.34 0.00 0.00 41.12 42.86 3azu n ASP 23 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3azu n LYS 24 N 6.63 0.11 0.02 -0.67 2.85 -1.09 -0.91 118.16 125.09 3azu n LYS 24 Ca 0.19 0.59 0.13 0.00 -1.05 0.00 0.00 58.31 58.18 3azu n LYS 24 Cb 0.38 -1.99 0.50 0.00 -0.65 0.00 0.00 35.03 33.27 3azu n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3azu n SER 25 N -2.11 0.23 -4.73 -5.58 3.41 -1.26 -4.84 113.62 98.74 3azu n SER 25 Ca -0.01 0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 58.52 3azu n SER 25 Cb 0.16 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 3azu n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3azu h LYS 27 N 5.76 0.41 -5.00 0.00 1.57 -1.89 -3.42 116.57 114.00 3azu h LYS 27 Ca -0.44 -0.60 -0.31 0.00 -1.87 0.00 0.00 60.65 57.44 3azu h LYS 27 Cb 1.21 0.21 -0.15 0.00 0.08 0.00 0.00 32.23 33.58 3azu h LYS 27 CO 0.79 1.25 -0.71 -0.65 -0.57 0.00 0.00 179.45 179.56 3azu s GLN 28 N -2.74 1.02 -0.03 3.15 -1.52 -1.26 -1.39 119.66 116.90 3azu s GLN 28 Ca -0.12 -1.43 0.01 0.00 -1.95 0.00 0.00 55.36 51.87 3azu s GLN 28 Cb 0.03 -0.56 0.02 0.00 -0.22 0.00 0.00 33.01 32.27 3azu s GLN 28 CO 0.86 0.06 -0.03 0.12 -0.25 0.00 0.00 175.29 176.05 3azu s PHE 29 N -3.36 0.54 -0.08 0.91 5.36 -0.05 -4.82 117.98 116.48 3azu s PHE 29 Ca 0.16 -0.11 -0.02 0.00 -0.96 0.00 0.00 56.93 56.00 3azu s PHE 29 Cb 0.03 -0.48 -0.03 0.00 -0.34 0.00 0.00 43.02 42.20 3azu s PHE 29 CO -0.00 -0.11 0.03 0.99 -1.46 0.00 0.00 175.22 174.66 3azu s THR 30 N 0.62 4.53 -0.13 0.12 2.01 -0.52 -0.93 115.64 121.33 3azu s THR 30 Ca -0.07 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.74 3azu s THR 30 Cb -0.11 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.47 3azu s THR 30 CO -0.00 0.57 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.59 3azu s VAL 31 N -0.95 2.15 -0.34 3.82 1.01 -0.31 -1.54 120.40 124.24 3azu s VAL 31 Ca 0.15 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3azu s VAL 31 Cb -0.11 -1.86 0.07 0.00 0.00 0.00 0.00 36.38 34.48 3azu s VAL 31 CO 0.04 0.55 0.08 0.20 0.00 0.00 0.00 175.10 175.97 3azu s ASN 32 N 0.67 5.08 -0.06 3.32 0.01 -0.09 -2.09 114.94 121.79 3azu s ASN 32 Ca -0.10 -1.49 -0.13 0.00 -0.71 0.00 0.00 52.86 50.43 3azu s ASN 32 Cb -0.16 -1.78 -0.05 0.00 0.41 0.00 0.00 41.25 39.67 3azu s ASN 32 CO 0.01 -0.36 0.34 -0.22 -1.51 0.00 0.00 177.10 175.37 3azu s LEU 33 N 1.24 4.40 0.03 0.60 2.96 0.13 -0.61 118.68 127.44 3azu s LEU 33 Ca -0.00 0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 3azu s LEU 33 Cb -0.21 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 3azu s LEU 33 CO -0.01 0.28 -0.02 -0.94 -1.32 0.00 0.00 176.35 174.34 3azu s SER 34 N -0.66 0.31 -0.49 3.68 1.04 -0.57 -1.07 113.70 115.94 3azu s SER 34 Ca 0.21 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 56.03 3azu s SER 34 Cb -0.15 0.14 0.13 0.00 0.10 0.00 0.00 66.02 66.24 3azu s SER 34 CO 0.10 -0.41 0.23 -1.10 0.98 0.00 0.00 173.24 173.04 3azu s GLN 35 N -2.31 1.85 0.04 4.02 -1.52 -0.67 -2.45 119.66 118.62 3azu s GLN 35 Ca -0.08 -2.47 0.21 0.00 -1.95 0.00 0.00 55.36 51.07 3azu s GLN 35 Cb -0.04 -3.22 0.88 0.00 -0.22 0.00 0.00 33.01 30.41 3azu s GLN 35 CO -0.04 -1.09 1.67 -0.35 -0.25 0.00 0.00 175.29 175.23 3azu n PRO 36 N 3.30 0.03 -0.33 2.91 -0.04 -1.26 -0.63 135.00 138.99 3azu n PRO 36 Ca 0.05 0.18 -0.08 0.00 -0.04 0.00 0.00 63.50 63.60 3azu n PRO 36 Cb 0.34 -1.55 0.07 0.00 -0.04 0.00 0.00 33.50 32.31 3azu n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3azu n GLY 37 N 0.59 -2.37 0.00 0.55 0.00 -1.26 -4.71 105.19 98.00 3azu n GLY 37 Ca 0.05 -1.49 0.04 0.00 0.00 0.00 0.00 46.02 44.62 3azu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3azu n ASN 38 N -3.49 1.01 -4.78 1.61 4.13 -1.26 -3.65 115.26 108.82 3azu n ASN 38 Ca 0.04 -0.55 -0.39 0.00 1.68 0.00 0.00 54.58 55.37 3azu n ASN 38 Cb 0.17 1.10 -0.06 0.00 -1.54 0.00 0.00 39.78 39.45 3azu n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3azu s LEU 39 N -2.73 4.59 0.95 3.41 1.43 -1.26 -4.77 118.68 120.30 3azu s LEU 39 Ca 0.02 1.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.61 3azu s LEU 39 Cb 0.07 -3.26 0.16 0.00 0.03 0.00 0.00 46.19 43.18 3azu s LEU 39 CO 0.38 0.21 1.09 -2.16 0.23 0.00 0.00 176.35 176.11 3azu s PRO 40 N -1.16 0.81 0.31 1.29 0.04 -1.26 -1.78 135.00 133.25 3azu s PRO 40 Ca 0.35 0.87 0.09 0.00 0.04 0.00 0.00 61.00 62.35 3azu s PRO 40 Cb -0.23 -1.75 0.50 0.00 0.04 0.00 0.00 34.50 33.06 3azu s PRO 40 CO 0.26 -2.56 1.72 1.57 0.04 0.00 0.00 177.00 178.02 3azu h LYS 41 N -1.78 0.13 0.00 4.56 2.10 -1.87 -1.25 116.57 118.46 3azu h LYS 41 Ca -0.51 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 3azu h LYS 41 Cb 1.29 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3azu h LYS 41 CO 0.53 0.55 0.00 -2.95 -2.00 0.00 0.00 179.45 175.58 3azu h ASN 42 N 0.11 0.00 0.00 7.07 -1.07 -1.95 0.45 115.58 120.19 3azu h ASN 42 Ca 0.01 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.32 3azu h ASN 42 Cb 0.83 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.07 3azu h ASN 42 CO 0.06 0.00 -1.82 0.52 0.07 0.00 0.00 177.43 176.26 3azu n VAL 43 N -2.67 0.23 -2.23 6.14 0.31 -0.79 -4.80 118.33 114.52 3azu n VAL 43 Ca 0.00 -0.44 -0.04 0.00 -0.01 0.00 0.00 64.34 63.86 3azu n VAL 43 Cb 0.22 -0.04 0.02 0.00 -0.91 0.00 0.00 33.84 33.13 3azu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3azu n MET 44 N -2.18 0.50 -2.02 5.55 0.00 -0.54 -4.99 117.12 113.43 3azu n MET 44 Ca -0.08 -0.88 -0.38 0.00 -0.00 0.00 0.00 57.70 56.36 3azu n MET 44 Cb 0.56 0.43 0.02 0.00 0.00 0.00 0.00 33.22 34.22 3azu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3azu s GLY 45 N -0.85 2.83 0.01 -5.12 0.00 0.16 -4.81 107.32 99.53 3azu s GLY 45 Ca 0.03 1.13 0.03 0.00 0.00 0.00 0.00 44.72 45.91 3azu s GLY 45 CO -0.05 1.61 -0.10 0.30 0.00 0.00 0.00 173.10 174.87 3azu s HIS 46 N -1.43 0.84 0.28 1.90 3.76 -0.57 -4.67 115.29 115.39 3azu s HIS 46 Ca 0.68 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 55.37 3azu s HIS 46 Cb -0.34 -0.52 -0.06 0.00 1.11 0.00 0.00 32.58 32.77 3azu s HIS 46 CO 0.41 -0.01 0.04 0.54 -0.85 0.00 0.00 174.74 174.87 3azu s ASN 47 N -0.67 1.92 -0.15 1.40 2.20 -1.26 -1.26 114.94 117.12 3azu s ASN 47 Ca 0.00 -1.32 0.01 0.00 -0.94 0.00 0.00 52.86 50.62 3azu s ASN 47 Cb -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 41.25 39.20 3azu s ASN 47 CO 0.00 -0.60 -0.19 0.86 -2.94 0.00 0.00 177.10 174.24 3azu s TRP 48 N -3.44 2.72 0.07 1.54 -0.00 -1.26 -4.09 118.94 114.48 3azu s TRP 48 Ca 0.34 -1.19 0.06 0.00 -0.00 0.00 0.00 56.10 55.31 3azu s TRP 48 Cb 0.07 -1.85 -0.03 0.00 -0.00 0.00 0.00 33.47 31.67 3azu s TRP 48 CO 0.13 -0.54 -0.16 0.08 -0.00 0.00 0.00 176.95 176.46 3azu s VAL 49 N 0.80 1.28 -0.07 5.86 1.01 -0.24 -1.49 120.40 127.54 3azu s VAL 49 Ca -0.07 -1.31 0.01 0.00 0.00 0.00 0.00 61.98 60.62 3azu s VAL 49 Cb -0.15 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.05 3azu s VAL 49 CO -0.01 -0.13 -0.09 -0.22 0.00 0.00 0.00 175.10 174.65 3azu s LEU 50 N -1.66 1.44 0.31 3.92 2.96 -0.96 -1.70 118.68 122.99 3azu s LEU 50 Ca 0.01 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 3azu s LEU 50 Cb -0.10 -0.74 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 3azu s LEU 50 CO 0.03 -0.03 0.40 -0.94 -1.32 0.00 0.00 176.35 174.49 3azu s SER 51 N 1.01 0.84 0.64 3.68 1.04 -0.95 -0.60 113.70 119.35 3azu s SER 51 Ca -0.09 -1.46 -0.13 0.00 0.48 0.00 0.00 55.95 54.75 3azu s SER 51 Cb -0.15 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 3azu s SER 51 CO -0.00 -1.19 1.06 0.42 0.98 0.00 0.00 173.24 174.51 3azu s THR 52 N -3.35 3.91 0.55 2.02 -4.23 -1.26 -1.52 115.64 111.75 3azu s THR 52 Ca 0.32 0.77 0.25 0.00 -1.18 0.00 0.00 61.69 61.85 3azu s THR 52 Cb 0.01 -3.39 0.37 0.00 1.34 0.00 0.00 72.50 70.83 3azu s THR 52 CO 0.19 -0.66 2.03 0.00 -0.54 0.00 0.00 174.62 175.64 3azu h ALA 53 N -0.08 2.26 0.00 3.99 0.00 -1.48 -1.72 119.26 122.23 3azu h ALA 53 Ca -0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 3azu h ALA 53 Cb 1.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3azu h ALA 53 CO 0.57 -0.49 -0.49 0.00 0.00 0.00 0.00 179.25 178.84 3azu h ALA 54 N 1.76 0.85 0.00 0.00 0.00 -1.91 -3.31 119.26 116.64 3azu h ALA 54 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3azu h ALA 54 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3azu h ALA 54 CO -0.00 0.62 -1.40 -0.25 0.00 0.00 0.00 179.25 178.22 3azu n ASP 55 N -3.47 0.51 -0.27 0.00 8.00 -0.67 -4.53 116.55 116.12 3azu n ASP 55 Ca 0.00 -0.39 0.01 0.00 0.71 0.00 0.00 54.79 55.13 3azu n ASP 55 Cb 0.62 1.33 0.09 0.00 -0.02 0.00 0.00 41.12 43.13 3azu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3azu h MET 56 N 0.00 -0.01 -0.42 -1.24 1.85 -1.59 -1.51 114.93 112.00 3azu h MET 56 Ca 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.04 3azu h MET 56 Cb 0.76 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.77 3azu h MET 56 CO 0.00 -0.01 0.04 1.96 -0.40 0.00 0.00 176.91 178.51 3azu h GLN 57 N -0.01 0.65 -0.34 0.39 1.08 -1.83 0.72 115.11 115.78 3azu h GLN 57 Ca 0.36 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.38 3azu h GLN 57 Cb 0.57 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 3azu h GLN 57 CO -0.80 0.64 0.04 0.78 -0.95 0.00 0.00 178.83 178.55 3azu h GLY 58 N 0.89 0.61 0.99 3.46 0.00 -1.70 -1.63 103.07 105.69 3azu h GLY 58 Ca 0.14 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3azu h GLY 58 CO 0.01 0.39 0.32 -2.08 0.00 0.00 0.00 176.54 175.17 3azu h VAL 59 N 0.39 1.20 -0.33 4.60 2.07 -0.75 -1.09 116.25 122.35 3azu h VAL 59 Ca 0.10 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 3azu h VAL 59 Cb 0.37 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3azu h VAL 59 CO 0.01 0.22 0.10 0.58 0.02 0.00 0.00 177.57 178.50 3azu h VAL 60 N 0.81 1.21 -0.21 2.57 2.07 -0.83 -0.30 116.25 121.56 3azu h VAL 60 Ca 0.21 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 3azu h VAL 60 Cb 0.06 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3azu h VAL 60 CO -0.03 0.23 0.01 0.74 0.02 0.00 0.00 177.57 178.53 3azu h THR 61 N 0.37 1.25 0.00 2.57 2.02 -1.11 -2.58 112.91 115.43 3azu h THR 61 Ca 0.11 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 3azu h THR 61 Cb 0.25 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3azu h THR 61 CO -0.00 0.26 -0.02 0.44 0.37 0.00 0.00 175.52 176.57 3azu h ASP 62 N 0.13 0.00 0.72 4.18 3.32 -1.21 -3.11 116.42 120.46 3azu h ASP 62 Ca 0.06 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3azu h ASP 62 Cb 0.38 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.94 3azu h ASP 62 CO 0.01 0.02 -0.35 1.23 -1.72 0.00 0.00 179.24 178.43 3azu h GLY 63 N 2.62 -1.01 2.00 2.75 0.00 -0.85 -3.00 103.07 105.58 3azu h GLY 63 Ca -0.00 0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 3azu h GLY 63 CO 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 176.54 176.11 3azu h MET 64 N -1.21 0.00 0.00 4.80 -0.00 -1.46 -0.08 114.93 116.98 3azu h MET 64 Ca -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.58 3azu h MET 64 Cb 0.76 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.36 3azu h MET 64 CO 0.16 0.07 -0.09 0.00 -0.00 0.00 0.00 176.91 177.05 3azu h ALA 65 N 1.93 1.01 -0.00 -3.00 0.00 -1.52 -3.26 119.26 114.42 3azu h ALA 65 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3azu h ALA 65 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3azu h ALA 65 CO 0.01 0.11 -0.19 0.43 0.00 0.00 0.00 179.25 179.61 3azu n SER 66 N -3.21 0.32 -0.28 0.00 7.64 -0.05 -5.04 113.62 113.00 3azu n SER 66 Ca 0.01 -0.10 0.04 0.00 1.01 0.00 0.00 58.87 59.82 3azu n SER 66 Cb 0.37 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.43 3azu n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3azu n GLY 67 N 1.42 -2.39 0.29 0.23 0.00 -1.23 -4.08 105.19 99.44 3azu n GLY 67 Ca 0.09 -1.40 -0.01 0.00 0.00 0.00 0.00 46.02 44.70 3azu n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3azu h LEU 68 N -0.27 0.66 -1.49 0.99 6.46 -1.93 -0.35 115.31 119.37 3azu h LEU 68 Ca -0.03 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 3azu h LEU 68 Cb 0.27 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 3azu h LEU 68 CO 0.01 0.65 0.00 -2.24 -0.62 0.00 0.00 178.44 176.24 3azu h ASP 69 N 0.69 0.00 -0.66 1.25 2.03 -2.01 -0.58 116.42 117.14 3azu h ASP 69 Ca 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 3azu h ASP 69 Cb 0.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.76 3azu h ASP 69 CO -0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 3azu n LYS 70 N -2.90 3.47 -2.12 4.15 4.76 -0.71 -4.94 118.16 119.86 3azu n LYS 70 Ca 0.00 -2.82 -0.20 0.00 -2.87 0.00 0.00 58.31 52.42 3azu n LYS 70 Cb 0.26 -1.80 -0.04 0.00 -1.84 0.00 0.00 35.03 31.61 3azu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3azu n ASP 71 N 1.21 -5.68 -3.89 4.39 8.00 -0.23 -2.27 116.55 118.08 3azu n ASP 71 Ca 0.25 0.16 -0.26 0.00 0.71 0.00 0.00 54.79 55.65 3azu n ASP 71 Cb 0.81 -4.79 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 3azu n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3azu n TYR 72 N -3.48 -1.85 -3.87 1.24 4.01 -0.22 -4.72 117.16 108.27 3azu n TYR 72 Ca -0.23 0.81 -0.13 0.00 -0.16 0.00 0.00 57.90 58.18 3azu n TYR 72 Cb 0.68 -3.92 -0.15 0.00 -0.31 0.00 0.00 39.34 35.64 3azu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3azu s LEU 73 N -6.95 1.69 0.12 7.72 1.43 -0.96 -4.12 118.68 117.61 3azu s LEU 73 Ca 0.18 0.00 -0.31 0.00 -1.03 0.00 0.00 54.13 52.97 3azu s LEU 73 Cb -0.09 -0.06 -0.09 0.00 0.03 0.00 0.00 46.19 45.99 3azu s LEU 73 CO 0.86 -0.04 1.49 -0.75 0.23 0.00 0.00 176.35 178.14 3azu s LYS 74 N 0.36 4.27 0.21 1.70 2.20 -1.26 -4.79 119.74 122.43 3azu s LYS 74 Ca -0.03 2.20 -0.32 0.00 -0.36 0.00 0.00 55.97 57.46 3azu s LYS 74 Cb -0.05 -3.28 -0.12 0.00 -1.51 0.00 0.00 37.83 32.87 3azu s LYS 74 CO -0.01 -0.54 1.69 -0.35 -0.36 0.00 0.00 175.35 175.77 3azu n PRO 75 N 4.25 2.67 -3.64 4.03 -0.04 -1.26 -2.76 135.00 138.25 3azu n PRO 75 Ca 0.13 0.96 -0.22 0.00 -0.04 0.00 0.00 63.50 64.33 3azu n PRO 75 Cb 0.41 -2.79 0.06 0.00 -0.04 0.00 0.00 33.50 31.14 3azu n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3azu n ASP 76 N 3.69 -3.14 -4.58 3.54 8.00 -1.26 -4.89 116.55 117.91 3azu n ASP 76 Ca 0.15 -0.70 -0.42 0.00 0.71 0.00 0.00 54.79 54.54 3azu n ASP 76 Cb 0.34 -4.54 -0.03 0.00 -0.02 0.00 0.00 41.12 36.87 3azu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3azu s ASP 77 N -3.96 6.05 0.53 -2.24 -1.08 -1.11 -4.87 116.67 109.99 3azu s ASP 77 Ca 0.24 0.64 0.35 0.00 -0.52 0.00 0.00 52.55 53.27 3azu s ASP 77 Cb -0.11 -2.54 1.53 0.00 -1.46 0.00 0.00 42.92 40.33 3azu s ASP 77 CO 0.77 -1.71 1.81 0.77 0.52 0.00 0.00 175.17 177.34 3azu h SER 78 N 11.75 0.03 1.46 -0.34 4.64 -1.92 -1.47 113.55 127.70 3azu h SER 78 Ca -0.28 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3azu h SER 78 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3azu h SER 78 CO 1.13 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 177.12 3azu h ARG 79 N 0.02 0.00 -5.83 4.77 3.08 -1.97 -3.44 114.38 111.02 3azu h ARG 79 Ca 0.56 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 60.02 3azu h ARG 79 Cb 2.20 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 32.17 3azu h ARG 79 CO -0.03 0.00 0.48 0.08 -1.07 0.00 0.00 179.97 179.44 3azu s VAL 80 N -3.14 4.83 -0.02 2.04 1.01 -0.55 -4.43 120.40 120.14 3azu s VAL 80 Ca 0.10 1.61 -0.10 0.00 0.00 0.00 0.00 61.98 63.59 3azu s VAL 80 Cb 0.11 -4.13 -0.31 0.00 0.00 0.00 0.00 36.38 32.05 3azu s VAL 80 CO 0.59 -0.07 0.79 0.40 0.00 0.00 0.00 175.10 176.81 3azu h ILE 81 N 5.40 1.07 -3.13 2.22 2.04 -1.15 -3.48 117.51 120.48 3azu h ILE 81 Ca -0.24 -2.63 -0.05 0.00 1.00 0.00 0.00 64.86 62.95 3azu h ILE 81 Cb 1.10 2.82 -0.14 0.00 -0.74 0.00 0.00 36.82 39.86 3azu h ILE 81 CO 0.88 0.84 0.02 0.00 0.00 0.00 0.00 178.15 179.89 3azu s ALA 82 N -2.59 -1.19 -0.11 1.87 0.00 -1.24 -5.00 121.76 113.49 3azu s ALA 82 Ca -0.13 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 3azu s ALA 82 Cb 0.05 0.65 0.10 0.00 0.00 0.00 0.00 23.12 23.92 3azu s ALA 82 CO 0.87 -0.63 0.85 -3.38 0.00 0.00 0.00 175.76 173.47 3azu s HIS 83 N -3.38 -0.51 0.00 0.00 -3.43 -1.26 -2.26 115.29 104.45 3azu s HIS 83 Ca -0.00 0.88 0.00 0.00 -0.80 0.00 0.00 55.06 55.14 3azu s HIS 83 Cb 0.00 0.43 0.00 0.00 -1.43 0.00 0.00 32.58 31.58 3azu s HIS 83 CO -0.09 -0.46 0.00 0.25 -2.00 0.00 0.00 174.74 172.44 3azu n THR 84 N 0.86 0.00 -3.43 -5.38 -2.24 -0.55 -4.83 114.28 98.71 3azu n THR 84 Ca -0.14 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.42 3azu n THR 84 Cb 0.57 -1.55 0.01 0.00 -2.10 0.00 0.00 70.33 67.27 3azu n THR 84 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3azu s LYS 85 N -1.73 2.40 -0.10 -0.78 -2.85 -1.26 -4.75 119.74 110.67 3azu s LYS 85 Ca 0.00 -1.69 -0.29 0.00 -1.00 0.00 0.00 55.97 52.98 3azu s LYS 85 Cb 0.00 -2.42 -0.01 0.00 -2.06 0.00 0.00 37.83 33.33 3azu s LYS 85 CO 0.00 -0.56 1.00 -1.17 0.10 0.00 0.00 175.35 174.71 3azu s LEU 86 N -4.38 4.26 0.13 2.77 2.96 -1.26 -4.34 118.68 118.81 3azu s LEU 86 Ca 0.49 1.53 0.11 0.00 -0.22 0.00 0.00 54.13 56.04 3azu s LEU 86 Cb -0.04 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 3azu s LEU 86 CO 0.30 -0.43 -0.26 0.27 -1.32 0.00 0.00 176.35 174.91 3azu s ILE 87 N 1.91 2.18 0.09 6.68 -4.36 -0.39 -4.89 121.20 122.42 3azu s ILE 87 Ca 0.48 -1.73 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 3azu s ILE 87 Cb -0.18 -1.93 0.01 0.00 1.25 0.00 0.00 42.46 41.60 3azu s ILE 87 CO 0.19 0.07 0.07 0.61 0.24 0.00 0.00 174.94 176.11 3azu n GLY 88 N 0.93 2.94 2.27 6.27 0.00 -1.26 -1.51 105.19 114.83 3azu n GLY 88 Ca -0.18 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.31 3azu n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3azu n SER 89 N -2.04 -0.58 0.00 1.61 2.88 -0.74 -2.15 113.62 112.61 3azu n SER 89 Ca -0.00 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 3azu n SER 89 Cb 0.10 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 3azu n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3azu n GLY 90 N 1.23 1.58 3.81 0.46 0.00 0.19 -4.96 105.19 107.50 3azu n GLY 90 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3azu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3azu s GLU 91 N 0.00 3.09 0.02 1.61 2.02 -0.91 -4.74 118.70 119.78 3azu s GLU 91 Ca 0.00 1.08 -0.02 0.00 0.02 0.00 0.00 54.97 56.06 3azu s GLU 91 Cb 0.00 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.21 3azu s GLU 91 CO 0.00 -0.98 0.01 0.21 0.02 0.00 0.00 175.26 174.51 3azu s LYS 92 N -4.58 0.36 0.05 1.61 2.20 -1.26 -1.66 119.74 116.46 3azu s LYS 92 Ca 0.61 -0.60 -0.21 0.00 -0.36 0.00 0.00 55.97 55.41 3azu s LYS 92 Cb -0.15 0.14 0.05 0.00 -1.51 0.00 0.00 37.83 36.35 3azu s LYS 92 CO 0.46 -0.07 0.47 0.34 -0.36 0.00 0.00 175.35 176.20 3azu s ASP 93 N -1.53 -0.37 0.17 1.43 2.15 -0.23 -5.00 116.67 113.28 3azu s ASP 93 Ca -0.15 0.10 0.04 0.00 0.43 0.00 0.00 52.55 52.97 3azu s ASP 93 Cb -0.09 0.46 -0.05 0.00 -0.30 0.00 0.00 42.92 42.95 3azu s ASP 93 CO -0.01 -0.70 -0.06 -0.94 -0.17 0.00 0.00 175.17 173.30 3azu s SER 94 N -1.98 1.65 -0.00 -0.34 1.04 -1.26 -0.69 113.70 112.11 3azu s SER 94 Ca -0.05 -1.09 0.01 0.00 0.48 0.00 0.00 55.95 55.29 3azu s SER 94 Cb -0.01 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.14 3azu s SER 94 CO -0.02 -0.43 -0.02 0.54 0.98 0.00 0.00 173.24 174.29 3azu s VAL 95 N -3.43 0.18 -0.12 5.02 0.11 -0.89 -4.89 120.40 116.38 3azu s VAL 95 Ca 0.21 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.18 3azu s VAL 95 Cb 0.04 -0.16 0.01 0.00 -1.53 0.00 0.00 36.38 34.74 3azu s VAL 95 CO 0.03 0.05 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.75 3azu s THR 96 N -0.05 1.92 0.21 5.04 2.01 -1.26 -1.16 115.64 122.35 3azu s THR 96 Ca 0.01 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.18 3azu s THR 96 Cb -0.01 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 3azu s THR 96 CO -0.00 0.52 -0.15 0.72 -0.69 0.00 0.00 174.62 175.02 3azu s PHE 97 N 0.75 1.76 -0.03 4.92 -0.71 -0.11 -4.91 117.98 119.65 3azu s PHE 97 Ca -0.09 -0.55 -0.30 0.00 -1.04 0.00 0.00 56.93 54.95 3azu s PHE 97 Cb -0.16 -0.82 -0.03 0.00 -1.21 0.00 0.00 43.02 40.80 3azu s PHE 97 CO 0.00 0.38 1.11 0.34 -1.34 0.00 0.00 175.22 175.72 3azu s ASP 98 N -3.26 7.16 0.50 1.98 2.15 -1.26 -0.88 116.67 123.05 3azu s ASP 98 Ca 0.22 1.76 0.28 0.00 0.43 0.00 0.00 52.55 55.24 3azu s ASP 98 Cb -0.02 -2.56 1.24 0.00 -0.30 0.00 0.00 42.92 41.28 3azu s ASP 98 CO 0.07 -0.47 1.96 0.58 -0.17 0.00 0.00 175.17 177.14 3azu h VAL 99 N 4.90 0.45 0.00 1.11 2.07 -1.48 -2.52 116.25 120.77 3azu h VAL 99 Ca -0.36 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.38 3azu h VAL 99 Cb 1.18 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3azu h VAL 99 CO 0.84 0.14 0.00 -1.54 0.02 0.00 0.00 177.57 177.03 3azu n SER 100 N -3.41 0.00 0.04 0.57 3.41 -1.26 -1.48 113.62 111.49 3azu n SER 100 Ca -0.01 -0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.61 3azu n SER 100 Cb 0.33 -0.20 0.52 0.00 -0.26 0.00 0.00 64.21 64.60 3azu n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3azu n LYS 101 N -1.20 0.08 -4.52 4.33 4.76 -0.95 -4.75 118.16 115.91 3azu n LYS 101 Ca 0.09 0.11 -0.34 0.00 -2.87 0.00 0.00 58.31 55.31 3azu n LYS 101 Cb 0.11 -1.60 -0.11 0.00 -1.84 0.00 0.00 35.03 31.59 3azu n LYS 101 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3azu s LEU 102 N -3.49 3.28 0.12 -0.35 1.43 -0.55 -5.11 118.68 114.01 3azu s LEU 102 Ca 0.12 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 3azu s LEU 102 Cb 0.16 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3azu s LEU 102 CO 0.51 0.34 -0.04 -1.59 0.23 0.00 0.00 176.35 175.80 3azu s LYS 103 N -1.00 2.33 0.72 1.70 -2.85 -1.26 -5.01 119.74 114.37 3azu s LYS 103 Ca 0.14 -0.99 -0.09 0.00 -1.00 0.00 0.00 55.97 54.03 3azu s LYS 103 Cb -0.11 -2.39 0.05 0.00 -2.06 0.00 0.00 37.83 33.32 3azu s LYS 103 CO 0.03 0.50 1.07 -1.83 0.10 0.00 0.00 175.35 175.22 3azu s GLU 104 N -2.44 2.32 0.00 1.78 -1.05 -1.26 -4.07 118.70 113.98 3azu s GLU 104 Ca 0.24 0.01 0.00 0.00 -0.15 0.00 0.00 54.97 55.07 3azu s GLU 104 Cb -0.11 -2.09 0.00 0.00 -0.44 0.00 0.00 34.13 31.49 3azu s GLU 104 CO 0.16 -1.25 0.00 0.41 0.95 0.00 0.00 175.26 175.53 3azu n GLY 105 N -3.02 2.31 3.58 -3.83 0.00 -1.26 -5.00 105.19 97.97 3azu n GLY 105 Ca 0.07 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 3azu n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3azu n GLU 106 N 0.00 0.93 -3.77 1.61 2.13 -1.26 -4.99 120.64 115.29 3azu n GLU 106 Ca 0.00 0.35 -0.36 0.00 0.66 0.00 0.00 57.16 57.81 3azu n GLU 106 Cb 0.00 -2.01 -0.07 0.00 0.27 0.00 0.00 31.44 29.63 3azu n GLU 106 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3azu s GLN 107 N -2.38 3.86 0.16 5.31 0.74 -1.26 -4.81 119.66 121.29 3azu s GLN 107 Ca 0.70 -0.13 0.08 0.00 0.05 0.00 0.00 55.36 56.06 3azu s GLN 107 Cb -0.46 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.29 3azu s GLN 107 CO 0.52 0.52 -0.17 0.71 -0.55 0.00 0.00 175.29 176.31 3azu s TYR 108 N -0.28 1.75 0.01 1.67 2.02 -1.22 -1.30 117.35 119.99 3azu s TYR 108 Ca 0.12 -0.49 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 3azu s TYR 108 Cb -0.12 -0.87 -0.01 0.00 -0.40 0.00 0.00 41.96 40.56 3azu s TYR 108 CO 0.02 0.30 -0.11 -1.64 -1.57 0.00 0.00 175.55 172.55 3azu s MET 109 N -2.85 0.82 0.07 -0.62 -1.94 -0.57 -1.48 119.30 112.73 3azu s MET 109 Ca 0.15 -0.52 0.06 0.00 -1.71 0.00 0.00 55.69 53.67 3azu s MET 109 Cb -0.05 -0.79 -0.04 0.00 2.01 0.00 0.00 34.83 35.97 3azu s MET 109 CO 0.06 0.20 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.61 3azu s PHE 110 N -0.54 2.81 0.13 -0.03 -0.71 0.01 -2.25 117.98 117.42 3azu s PHE 110 Ca 0.02 -0.11 -0.25 0.00 -1.04 0.00 0.00 56.93 55.55 3azu s PHE 110 Cb -0.06 -1.50 0.07 0.00 -1.21 0.00 0.00 43.02 40.32 3azu s PHE 110 CO 0.00 0.41 0.92 -0.59 -1.34 0.00 0.00 175.22 174.63 3azu s PHE 111 N -1.15 -0.18 -0.18 3.49 -0.71 -0.69 -0.90 117.98 117.65 3azu s PHE 111 Ca 0.21 -0.10 -0.10 0.00 -1.04 0.00 0.00 56.93 55.89 3azu s PHE 111 Cb -0.11 0.62 -0.05 0.00 -1.21 0.00 0.00 43.02 42.27 3azu s PHE 111 CO 0.12 -0.80 0.16 0.00 -1.34 0.00 0.00 175.22 173.36 3azu n THR 113 N 3.30 0.00 -1.71 0.00 -2.24 -1.26 -2.89 114.28 109.48 3azu n THR 113 Ca -0.16 -0.39 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 3azu n THR 113 Cb 0.52 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 3azu n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3azu n PHE 114 N 0.80 2.59 -1.18 4.78 -0.00 -1.26 -4.30 117.46 118.88 3azu n PHE 114 Ca 0.15 0.22 -0.49 0.00 -0.00 0.00 0.00 57.45 57.34 3azu n PHE 114 Cb 0.51 -2.59 -0.08 0.00 -0.00 0.00 0.00 39.48 37.32 3azu n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3azu n PRO 115 N 2.93 0.00 0.00 -7.13 -0.02 -1.26 -1.24 135.00 128.28 3azu n PRO 115 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3azu n PRO 115 Cb 0.34 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 3azu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3azu n GLY 116 N 3.78 2.77 0.20 -1.23 0.00 -1.26 -4.88 105.19 104.56 3azu n GLY 116 Ca 0.29 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 3azu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3azu h HIS 117 N 0.00 0.85 0.00 1.61 3.86 -1.45 -3.32 115.15 116.70 3azu h HIS 117 Ca 0.00 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 3azu h HIS 117 Cb 0.00 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.35 3azu h HIS 117 CO 0.00 1.21 0.10 0.66 0.86 0.00 0.00 177.93 180.76 3azu h SER 118 N 0.39 0.00 0.05 2.45 4.64 -1.70 0.05 113.55 119.43 3azu h SER 118 Ca -0.06 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 3azu h SER 118 Cb 1.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.53 3azu h SER 118 CO 0.16 0.00 -0.31 0.00 -0.87 0.00 0.00 176.83 175.81 3azu h ALA 119 N 1.78 1.11 0.00 5.18 0.00 -1.91 -3.29 119.26 122.14 3azu h ALA 119 Ca 0.00 -0.37 -0.34 0.00 0.00 0.00 0.00 54.91 54.21 3azu h ALA 119 Cb 0.20 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3azu h ALA 119 CO 0.00 0.56 -2.27 1.28 0.00 0.00 0.00 179.25 178.82 3azu n LEU 120 N -4.09 1.11 -4.34 0.00 4.77 -0.55 -4.85 117.00 109.04 3azu n LEU 120 Ca -0.01 -0.05 -0.46 0.00 -0.03 0.00 0.00 56.01 55.46 3azu n LEU 120 Cb 0.43 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3azu n LEU 120 CO 0.42 0.61 0.58 -0.04 -1.33 0.00 0.00 177.39 177.63 3azu s MET 121 N -2.45 3.77 0.15 3.23 -1.94 -0.10 -4.75 119.30 117.20 3azu s MET 121 Ca -0.17 -2.60 -0.24 0.00 -1.71 0.00 0.00 55.69 50.97 3azu s MET 121 Cb 0.06 -4.51 0.07 0.00 2.01 0.00 0.00 34.83 32.46 3azu s MET 121 CO 0.66 -1.33 0.69 -1.59 -0.01 0.00 0.00 175.02 173.45 3azu s LYS 122 N 0.03 1.29 0.09 2.03 0.00 -1.26 -2.21 119.74 119.71 3azu s LYS 122 Ca 0.23 -0.54 -0.16 0.00 0.00 0.00 0.00 55.97 55.50 3azu s LYS 122 Cb -0.09 0.55 0.05 0.00 0.00 0.00 0.00 37.83 38.34 3azu s LYS 122 CO -0.09 -0.57 0.74 0.41 0.00 0.00 0.00 175.35 175.84 3azu n GLY 123 N -0.38 0.72 3.84 0.59 0.00 -0.08 -4.82 105.19 105.07 3azu n GLY 123 Ca -0.13 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 3azu n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3azu s THR 124 N -2.19 4.61 -0.06 2.61 -4.23 -0.32 -0.81 115.64 115.26 3azu s THR 124 Ca 0.17 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 3azu s THR 124 Cb -0.02 -3.44 0.02 0.00 1.34 0.00 0.00 72.50 70.41 3azu s THR 124 CO 0.03 -0.25 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.57 3azu s LEU 125 N -3.57 1.38 -0.04 4.79 0.20 -0.55 -1.13 118.68 119.77 3azu s LEU 125 Ca 0.32 -0.20 0.05 0.00 0.69 0.00 0.00 54.13 54.99 3azu s LEU 125 Cb -0.09 -0.62 -0.01 0.00 -0.43 0.00 0.00 46.19 45.04 3azu s LEU 125 CO 0.25 -0.04 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.21 3azu s THR 126 N 0.97 1.46 -0.15 3.68 2.01 -0.02 -3.38 115.64 120.21 3azu s THR 126 Ca -0.10 -0.74 -0.28 0.00 0.31 0.00 0.00 61.69 60.88 3azu s THR 126 Cb -0.15 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 3azu s THR 126 CO 0.00 0.42 0.96 -0.22 -0.69 0.00 0.00 174.62 175.10 3azu s LEU 127 N -0.04 4.20 0.00 4.42 2.96 -1.26 -0.02 118.68 128.93 3azu s LEU 127 Ca -0.02 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 3azu s LEU 127 Cb -0.11 -3.46 0.00 0.00 0.50 0.00 0.00 46.19 43.12 3azu s LEU 127 CO 0.02 -0.48 0.00 1.17 -1.32 0.00 0.00 176.35 175.74